Search Results
ChemRN: Molecular Properties (Topic)

698 Total downloads

Viewing: 1 - 50 of 50 papers

1.

Surface Tension of Aluminum Oxide: A Molecular Dynamics Study

Number of pages: 28 Posted: 16 Apr 2021
Working Paper Series
KU Leuven - Department of Materials Engineering, KU Leuven - Department of Materials Engineering, KU Leuven - Department of Materials Engineering, KU Leuven - Department of Materials Engineering, KU Leuven - Department of Materials Engineering and KU Leuven - Department of Materials Engineering
Downloads 143
2.

Determination of the Protective Properties of Some Drug Active Compounds Against Gamma Radiation Damage

Number of pages: 13 Posted: 22 Mar 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Imam Abdulrahman Bin Faisal University and affiliation not provided to SSRN
Downloads 95
3.

Solubility Prediction of Pharmaceutical Compounds in Pure Solvent by Different Correlations and Thermodynamic Models

Proceedings of the International Conference on Advances in Chemical Engineering (AdChE) 2020
Number of pages: 12 Posted: 22 Oct 2020
Working Paper Series
Department of Chemical Engineering, University of Petroleum and Energy Studies, Dehradun, 248007, India, Department of Chemical Engineering, University of Petroleum and Energy Studies, Dehradun, 248007, India and Department of Chemical Engineering, University of Petroleum and Energy Studies, Dehradun, 248007, India
Downloads 43
4.

The Ignored Effects of Vibrational Entropy and Electrocaloric Effect in PbTiO 3 and PbZr 0.5Ti 0.5O 3 as Studied Through First-Principles Calculation

Number of pages: 28 Posted: 16 Oct 2019
Working Paper Series
Southeast University - Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments, Southeast University - Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments, Southeast University - Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments, Southeast University - Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments, Southeast University - Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments and University of California, Berkeley - Department of Mechanical Engineering
Downloads 38
5.

A Giant Spin Molecule with Ninety-Six Parallel Unpaired Electrons

Number of pages: 8 Posted: 19 Nov 2020
Working Paper Series
Xi'an Jiaotong University (XJTU), Xi'an Jiaotong University (XJTU), Xi'an Jiaotong University (XJTU) - Frontier Institute of Science and Technology, Tohoku University, Bielefeld University of Applied Science and Xi'an Jiaotong University (XJTU) - Frontier Institute of Science and Technology
Downloads 32
6.

Neutrino Oscillations, Compton Effect and Dynamic Model of a Stationary Universe.

Number of pages: 14 Posted: 02 Oct 2019
Working Paper Series
Independent and Independent
Downloads 27
7.

Radicals in Ammonium Tartrate at 295 K by X-Radiation: Revised Radical Structures by EMR and DFT Analyses

Number of pages: 22 Posted: 12 Nov 2021
Working Paper Series
University of Oslo - Department of Physics, University of Oslo - Department of Physics, University of Oslo - Department of Physics and Linkoping University - Department of Physics, Chemistry and Biology
Downloads 26
8.

Magnetic Molecules on Surfaces

Number of pages: 80 Posted: 21 Mar 2022
Working Paper Series
Universitat de Barcelona, Universitat de Barcelona and Universitat de Barcelona
Downloads 22
9.

A Review of Micro Silica Beads in Radiation Dosimetry Applications

Number of pages: 16 Posted: 22 Mar 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and University of Surrey
Downloads 19
10.

Magnetic Moment of an Electron, its Spin and de Broglie Oscillations

Number of pages: 6 Posted: 02 Oct 2019
Working Paper Series
Independent and Independent
Downloads 19
11.

Geoneutrons

Number of pages: 15 Posted: 22 Mar 2022
Working Paper Series
Universidad Autónoma de Zacatecas - Unidad Académica de Estudios Nucleares, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 18
12.

Effects of Non-Local Exchange Functionals in the Density Functional Theories for the Description of Molecular Vibrations

Number of pages: 34 Posted: 21 Jan 2022
Working Paper Series
Central University of Jammu, Central University of Jammu and Sastra University - Department of Chemistry
Downloads 17
13.

Feii Spin Crossover Complexes Containing N4o2 Donor Ligands

Number of pages: 72 Posted: 21 Mar 2022
Working Paper Series
affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 13
14.

K β to K α X-Ray Intensity Ratio and K-L Vacancy Transfer Probability of Mn Following Electron Capture Decay

Number of pages: 14 Posted: 23 Dec 2021
Working Paper Series
CHRIST (Deemed to be University) - Department of Physics and Electronics and CHRIST (Deemed to be University) - Department of Physics and Electronics
Downloads 13
15.

Molecular Dynamics Simulation of the Competitive Adsorption Behavior of Effluent Organic Matters by Heated Aluminum Oxide Particles (Haops)

Number of pages: 33 Posted: 16 Feb 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Nanyang Technological University (NTU) and Nanyang Technological University (NTU) - School of Chemical and Biomedical Engineering
Downloads 13
16.

Molecular Engineering of Schiff Bases by Imine Bond Orientation Effect: Making a Dramatic Difference in Fluorescent Properties

Number of pages: 25 Posted: 22 Mar 2022
Working Paper Series
Taiyuan University of Technology, Taiyuan University of Technology, affiliation not provided to SSRN, Taiyuan University of Technology, Taiyuan University of Technology, Taiyuan University of Technology, Taiyuan University of Technology, Taiyuan University of Technology and Taiyuan University of Technology
Downloads 12
17.

Chemical Reactivity, Molecular Electrostatic Potential and In-Silico Analysis on Benzimidazole Fungicide Benomyl

Number of pages: 12 Posted: 14 Jun 2022
Working Paper Series
Saint Joseph's College for Women, Nesamony Memorial Christian College and University of Kerala - Department of Physics
Downloads 10
18.

Complete Spreading of Liquid Droplets on Heterogeneous Substrates: Simulations and Experiments

Science Direct Working Paper No S1574-0331(04)70337-9
Number of pages: 21 Posted: 31 May 2017 Last Revised: 16 Dec 2017
Working Paper Series
Materia Nova, Université de Mons - Centre de Recherche en Mod´elisation Moleculaire, Université de Mons - Centre de Recherche en Mod´elisation Moleculaire, Université de Mons - Laboratoire de Chimie Organique and Université de Mons - Centre de Recherche en Mod´elisation Moleculaire
Downloads 10
19.

Simulation and Optimization of 89Zr Radionuclide Production Using Fuzzy Logic and Firefly Algorithm

Number of pages: 21 Posted: 02 Nov 2021
Working Paper Series
Damavand Branch of Islamic Azad University, Tehran-Iran, Islamic Azad University (IAU) - Tabriz Branch, Damavand Branch of Islamic Azad University, Tehran-Iran and Amirkabir University of Technology - Energy and Physics Department
Downloads 10
20.

Software and Hardware Complex for Radiation Processing Facility Control

Number of pages: 13 Posted: 22 Mar 2022
Working Paper Series
affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 9
21.

Study of Structural Evolution at Interfaces and Surfaces of Pbse Nanocrystals by In-Situ Transmission Electron Microscopy

Number of pages: 16 Posted: 05 Jan 2022
Working Paper Series
Anhui University, Huazhong University of Science and Technology, affiliation not provided to SSRN, Huazhong University of Science and Technology - School of Physics, Anhui University, Anhui University, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 9
22.

Molecular Recognition with Covalent-Organic-Framework Nanofilms at Terahertz Band

Number of pages: 20 Posted: 21 Mar 2022
Working Paper Series
Zhejiang University, Zhejiang University, Zhejiang University, Zhejiang University, Zhejiang University, Zhejiang University, Zhejiang University, Zhejiang University, Zhejiang University and Zhejiang University
Downloads 7
23.

Proton Radiography Using Discrete Range Modulation Method – a Monte Carlo Study

Number of pages: 19 Posted: 22 Mar 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Chang Gung University, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Chang Gung University and Chang Gung University
Downloads 7
24.

Rigid Phenanthro[4,5-Abc]Phenazine-Cored Iridium(Iii) Complexes for High-Performance Near-Infrared Emission at About 800 Nm in Solution-Processed Oleds

Number of pages: 23 Posted: 09 Jul 2022
Working Paper Series
Liaoning University - College of Chemistry, Changzhou University, Changzhou University, Changzhou University, Changzhou University, East China University of Technology and Xiangtan University
Downloads 7
25.

A Model for Projectile Charge State Distribution Inside a Solid-Target

Number of pages: 6 Posted: 17 Nov 2021
Working Paper Series
University of Kalyani - Department of Physics, University of Kalyani - Department of Physics and Inter-University Accelerator Centre

Multiple version iconThere are 2 versions of this paper

Downloads 6
26.

Dynamics of Electron Collision with Potential Biofuel: N-Butanol

Number of pages: 24 Posted: 09 Jul 2022
Working Paper Series
Sardar Patel University, Sardar Patel University, Sardar Patel University, The Maharaja Sayajirao University of Baroda and affiliation not provided to SSRN
Downloads 6
27.

Photoinitiation Mechanism and Ability of Thioxanthone-Based Versatile Visible Photoinitiators

Number of pages: 31 Posted: 07 Jul 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, China West Normal University, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 6
28.

Solubility, Solution Thermodynamics, and Preferential Solvation of Amygdalin in Ethanol + Water Solvent Mixtures

Aydi, A.; Ayadi, C.; Ghachem, K.; Al-Khazaal, A.Z.; Delgado, D.R.; Alnaief, M.; Kolsi, L. Solubility, Solution Thermodynamics, and Preferential Solvation of Amygdalin in Ethanol + Water Solvent Mixtures. Pharmaceuticals 2020, 13, 395. https://doi.org/10.3390/ph13110395
Number of pages: 17 Posted: 03 Aug 2021
Accepted Paper Series
Université Paris-Sud - LETIAM, National Institute of Research and Physical and Chemical Analysis (INRAP), Princess Nourah bint Abdulrahman University, Northern Border University, Universidad Cooperativa de Colombia, German Jordanian University (GJU) and University of Monastir
Downloads 6
29.

Application of Quantitative Structure-Retention Relationships (Qsrr) to a Set of Organic Bromo and Nitrile Derivatives

Science Direct Working Paper No S1574-0331(04)70395-1
Number of pages: 13 Posted: 31 May 2017 Last Revised: 16 Dec 2017
Working Paper Series
Universidad Nacional de La Plata - Departamento de Quimica, Universidad Nacional de La Plata - Departamento de Quimica and Universidad Nacional de La Plata - Departamento de Quimica
Downloads 5
30.

Data Table, Equation Fit or Interpolation

International Journal of Computational Science and Information Technology (IJCSITY) Vol.7, No.1/2/3/4, November 2019
Number of pages: 8 Posted: 14 Apr 2020
Accepted Paper Series
National Autonomous University of Mexico (UNAM)
Downloads 5
31.

Density Functional Analysis of the Isomers of 3,6-Diphenyl-1, 2, 4, 5-Tetroxane Molecule

Science Direct Working Paper No S1574-0331(04)70080-6
Number of pages: 7 Posted: 24 May 2017 Last Revised: 02 Dec 2017
Working Paper Series
Universidad Nacional del Nordeste - Area de Fisicoquimica FACENA, Universidad Nacional de La Plata - Departamento de Quimica and Universidad Nacional del Nordeste - Area de Fisicoquimica FACENA
Downloads 5
32.

Molecular Structure and Excitation Characteristics of Dhr Under Different External Electric Fields

Number of pages: 19 Posted: 17 May 2022
Working Paper Series
Guizhou University, Guizhou University, Guizhou University, Guizhou University, Guizhou University, Guizhou University and Guizhou University
Downloads 5
33.

Mass Spectrometric Study of the Laser-Produced Carbon Vapor Up to 4500 K

Number of pages: 24 Posted: 15 Feb 2022
Working Paper Series
Joint Institute for High Temperatures and affiliation not provided to SSRN
Downloads 4
34.

Monte Carlo-Based Identification of Electron and Proton Edges for Calibration of Miniaturized Tissue Equivalent Proportional Counter

Number of pages: 14 Posted: 08 Jul 2022
Working Paper Series
Seoul National University, Seoul National University and Seoul National University
Downloads 4
35.

Self-Sealing of Caprocks During CO 2 Geological Sequestration

Number of pages: 37 Posted: 09 Dec 2021
Working Paper Series
PetroChina Exploration and Development Research Institute, PetroChina Exploration and Development Research Institute, PetroChina Exploration and Development Research Institute and PetroChina Exploration and Development Research Institute
Downloads 4
36.

A New Type of Zero Thermal Quenching Red Emitting Phosphor Β-Nayf4:Eu3+ for Nuv Leds

Number of pages: 34 Posted: 22 Mar 2022
Working Paper Series
Guangxi University, Guangxi University, Guangxi University, Guangxi University, Guangxi University and Guangxi University
Downloads 3
37.

Application of Quantitative Structure-Retention Relationships to Calculate Chromatographic Retention Times of O-Acetylphenyl Esters

Science Direct Working Paper No S1574-0331(04)70083-1
Number of pages: 24 Posted: 24 May 2017 Last Revised: 02 Dec 2017
Working Paper Series
affiliation not provided to SSRN, Universidad Nacional de La Plata - Departamento de Quimica, Universidad Nacional de La Plata - Departamento de Quimica, Universidad Nacional de La Plata - Departamento de Quimica, Universidad Nacional de La Plata - Departamento de Quimica and Universidad Nacional de La Plata - Departamento de Quimica
Downloads 3
38.

Surface Irradiation Installation Based on Urt-0,5m Accelerator

Number of pages: 14 Posted: 22 Mar 2022
Working Paper Series
affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 3
39.

Tomographic Voxel Deformable Phantom, Full Body Model for Radiation Protection Assessment

Number of pages: 19 Posted: 22 Mar 2022
Working Paper Series
Imam Abdulrahman Bin Faisal University
Downloads 3
40.

Trimers Formed by Formaldehyde with Hydrogen Fluoride: Structures, Energetics, and Infrared Absorption Spectra

Number of pages: 23 Posted: 27 Jul 2022
Working Paper Series
St Petersburg University, St Petersburg University, St Petersburg University and St Petersburg University
Downloads 3
41.

Amelorate Qspr Study of Alkyl Hydroperoxides

Science Direct Working Paper No S1574-0331(04)70459-2
Number of pages: 8 Posted: 30 May 2017 Last Revised: 23 Dec 2017
Working Paper Series
Universidad Nacional de La Plata - Departamento de Quimica, Universidad Nacional de La Plata - Departamento de Quimica and Universidad Nacional de La Plata - Departamento de Quimica
Downloads 2
42.

Feooh Nanolayers Decorated on Oxygen-Vacancy-Containing Bivo4 for Efficient Photoelectrochemical Degradation of Rhodamine B

Number of pages: 25 Posted: 07 Jul 2022
Working Paper Series
Tianjin Chengjian University, Tianjin Chengjian University and Tianjin Chengjian University
Downloads 2
43.

Dose Rate Mapping of an Industrial 60co Irradiator Using an Online Photodiode-Based Dosimetry System

Number of pages: 16 Posted: 22 Mar 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
Downloads 1
44.

Non-Relativistic Solutions for Three-Body Molecules within a Chern-Simons Model

Number of pages: 16 Posted: 13 Apr 2022
Working Paper Series
affiliation not provided to SSRN, Universidade do Estado do Rio de Janeiro, affiliation not provided to SSRN and Centro Brasileiro de Pesquisas Físicas
Downloads 1
45.

Pvdf-Based Molecularly Imprinted Ratiometric Fluorescence Test Paper with Improved Visualization Effect for Catechol Monitoring

Number of pages: 18 Posted: 16 Feb 2022
Working Paper Series
Jiangsu University, Jiangsu University, Jiangsu University and Jiangsu University
Downloads 1
46.

Thermo-Luminescence Glow Curve Analysis of Al2o3 Irradiated with 200 Mev Ag Ions

Number of pages: 11 Posted: 27 May 2022
Working Paper Series
affiliation not provided to SSRN
Downloads 1
47.

Biocomputational Approach for the Effective Treatment of Alzheimer’s Disease

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 03 Feb 2020
Working Paper Series
Basaveshwar Engineering College
48.

Building Quantum Calculation-Based Protein Polarization Effect Into Protein-Inhibitor Binding Dynamics for Lead Molecule Prioritization

Proceedings of International Conference on Drug Discovery (ICDD) 2020
Posted: 30 Jan 2020
Working Paper Series
University of Delhi and University of Delhi
49.

In Search for an Ionic Liquid with the Best Performance During 210pb/210bi Cherenkov Counting in Waters on a Ls Counter

Number of pages: 18 Posted: 22 Mar 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN and affiliation not provided to SSRN
50.

Non-Minimal Coupling of Fermion to the Torsion in the Modified Teleparallel Braneworld

Number of pages: 18 Posted: 22 Mar 2022
Working Paper Series
affiliation not provided to SSRN, affiliation not provided to SSRN and Federal University of Ceara - Department of Physics